ioChem-BD Browse - Institute of Chemical Research of Catalonia: Search

Search

previous
1
...
3479
3480
3481
3482
3483
3484
3485
...
10355
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	21-Jun-2019	/B2O4(C2H4)2 B2pin2	Mateo, Anna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-311G**	-508.161166289; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/S33 S33	García, Cristina	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) LANL2DZ GENECP	-1099.04343646; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/S34 S34	García, Cristina	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) LANL2DZ GENECP	-1314.30474815; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/S3 S3	García, Cristina	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) LANL2DZ GENECP	-1007.17853786; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/AgI AgI	García, Cristina	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	LANL2DZ GENECP	-157.233292641; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/S33 S33_spbs	García, Cristina	Gaussian; 09	Single point Structure	RwB97XD	GENECP	-1099.2789928; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/AgI AgI_spbs	García, Cristina	Gaussian; 09	Single point Structure	RwB97XD	GENECP	-157.2362653; Eh
	21-Jun-2019	/B2O4(C2H4)2 Int1-Ni	Mateo, Anna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	LanL2DZ; 6-311G**	-1015.39415308; Eh
	21-Jun-2019	/B2O4(C2H4)2 Adduct	Mateo, Anna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	LanL2DZ; 6-311G**	-812.003622612; Eh
	21-Jun-2019	/B2O4(C2H4)2 Cs2CO3	Mateo, Anna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	LanL2DZ; 6-311G**	-303.749524729; Eh

Results 34811-34820 of 103542 (Search time: 0.021 seconds).